2-chloro-4-methylhex-1-ene

C7H13Cl — CID 15153636

IUPAC2-chloro-4-methylhex-1-ene
SMILESC=C(Cl)CC(C)CC
InChIInChI=1S/C7H13Cl/c1-4-6(2)5-7(3)8/h6H,3-5H2,1-2H3
InChIKeyAEMOJTBJLDHXPB-UHFFFAOYSA-N
MW132.63 g/mol
LogP3.18
Rot. Bonds3

About 2-chloro-4-methylhex-1-ene

2-chloro-4-methylhex-1-ene (PubChem CID 15153636) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 2-chloro-4-methylhex-1-ene.

Molecular Properties

Compound Name2-chloro-4-methylhex-1-ene
PubChem CID15153636
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name2-chloro-4-methylhex-1-ene
SMILESC=C(Cl)CC(C)CC
InChIInChI=1S/C7H13Cl/c1-4-6(2)5-7(3)8/h6H,3-5H2,1-2H3
InChIKeyAEMOJTBJLDHXPB-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5S)-5-methyl-3-methylidenehept-1-yne
CID 15744328
(2,5-dimethyl-3-methylideneheptan-2-yl)phosphane
CID 170214631
2,6-dimethyl-4-methylideneoctane
CID 12567282
3,6-dimethyl-4-methylideneoctane
CID 91141716
2-fluoro-5-methyl-3-methylideneheptane
CID 130181565
4-methyl-2-methylidenehexanamide
CID 87496757
3-ethyl-5-methylhept-2-ene
CID 90962982
N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine
CID 90787138
(Z)-3-chloro-1,1,1,2-tetrafluoro-5-methylhept-2-ene
CID 142059049
2-chlorodec-1-en-4-ol
CID 11030613
(1E)-1,5-dichloro-3-methylhexa-1,5-diene
CID 143838570
3-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114875356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylhex-1-ene?
The IUPAC name of 2-chloro-4-methylhex-1-ene (CID 15153636) is 2-chloro-4-methylhex-1-ene.
What is the SMILES notation for 2-chloro-4-methylhex-1-ene?
The canonical SMILES for 2-chloro-4-methylhex-1-ene is C=C(Cl)CC(C)CC.
What is the InChIKey of 2-chloro-4-methylhex-1-ene?
The InChIKey is AEMOJTBJLDHXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-4-6(2)5-7(3)8/h6H,3-5H2,1-2H3.
What are the key properties of 2-chloro-4-methylhex-1-ene?
2-chloro-4-methylhex-1-ene has a molecular weight of 132.63 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylhex-1-ene is sourced from PubChem (CID 15153636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).